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SIJ

Summary
Name:6-(1,9-DIAZASPIRO[5.5]UNDECAN-9-YL)-9H-PURINE
Formula:C14 H20 N6
Formal charge:0
Formula weight:272.349 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.019-(9H-purin-6-yl)-1,9-diazaspiro[5.5]undecane
OpenEye OEToolkits1.9.29-(9H-purin-6-yl)-1,9-diazaspiro[5.5]undecane

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n4c1c(ncnc1N3CCC2(NCCCC2)CC3)nc4
InChIInChI1.03InChI=1S/C14H20N6/c1-2-6-19-14(3-1)4-7-20(8-5-14)13-11-12(16-9-15-11)17-10-18-13/h9-10,19H,1-8H2,(H,15,16,17,18)
InChIKeyInChI1.03SLPPJSSITOXUMX-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C1CCC2(CCN(CC2)c3ncnc4[nH]cnc34)NC1
SMILESCACTVS3.385C1CCC2(CCN(CC2)c3ncnc4[nH]cnc34)NC1
SMILES_CANONICALOpenEye OEToolkits1.9.2c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3
SMILESOpenEye OEToolkits1.9.2c1[nH]c2c(n1)c(ncn2)N3CCC4(CCCCN4)CC3

247536

PDB entries from 2026-01-14

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